RefChem:304635
TL;DR: RefChem:304635 (CAS 29133-39-9) is a chemical compound with molecular formula C37H36N2O8S2 and molecular weight 700.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: BAS 00482381, 5-Phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)benzoxazolium inner salt, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3h)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)benzoxazolium inner salt, RefChem:304635
| Molecular Formula | C37H36N2O8S2 |
|---|---|
| Molecular Weight | 700.19 g/mol |
| LogP | 6.8013 |
| Topological Polar Surface Area | 141.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 700.1913 |
| Heavy Atoms | 49 |
| Complexity | 2246.03 |
Chemical Identifiers
| CAS Number | 29133-39-9 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)O |
Product Overview
RefChem:304635 (CAS 29133-39-9), with molecular formula C37H36N2O8S2 and molecular weight 700.19 g/mol. IUPAC: 3-[5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:304635
Property Insights of RefChem:304635
The XLogP value of 6.8013 indicates that RefChem:304635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.06 Ų indicates high polarity, suggesting RefChem:304635 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:304635 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:304635?
The CAS number of RefChem:304635 is 29133-39-9.
What is the molecular formula of RefChem:304635?
The molecular formula of RefChem:304635 is C37H36N2O8S2.
What is the molecular weight of RefChem:304635?
The molecular weight of RefChem:304635 is 700.19 g/mol.
Where can I buy RefChem:304635?
You can request a quote for RefChem:304635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304635?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.